Information card for entry 7155968

Structure parameters

• Formula: C25 H32 N2 O7
• Calculated formula: C25 H32 N2 O7
• SMILES: O=C1N([C@H]2[C@H]3[C@H](ON=C3[C@H](OCc3ccccc3)[C@@H]3OC(OC3)(C)C)[C@@H]1C2)C(=O)OC(C)(C)C
• Title of publication: Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus
• Authors of publication: Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2017
• a: 6.0765 ± 0.0002 Å
• b: 9.6451 ± 0.0004 Å
• c: 11.0698 ± 0.0004 Å
• α: 89.902 ± 0.003°
• β: 75.421 ± 0.003°
• γ: 76.398 ± 0.004°
• Cell volume: 609.14 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No